2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol

C23H32N2O3 — CID 29404375

IUPAC2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
SMILESCC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-23(2,3)18-8-10-20(11-9-18)28-17-19(26)16-24-12-14-25(15-13-24)21-6-4-5-7-22(21)27/h4-11,19,26-27H,12-17H2,1-3H3/t19-/m0/s1
InChIKeyMAMHPCDYABBUEM-IBGZPJMESA-N
MW384.52 g/mol
LogP3.25
Rot. Bonds6

About 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol

2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol (PubChem CID 29404375) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
PubChem CID29404375
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
SMILESCC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-23(2,3)18-8-10-20(11-9-18)28-17-19(26)16-24-12-14-25(15-13-24)21-6-4-5-7-22(21)27/h4-11,19,26-27H,12-17H2,1-3H3/t19-/m0/s1
InChIKeyMAMHPCDYABBUEM-IBGZPJMESA-N
XLogP3.25
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611
1-(4-tert-butylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16807037
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 34065761
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
(2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 27532210
2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol
CID 132522010
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol (CID 29404375) is 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol is CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
The InChIKey is MAMHPCDYABBUEM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N2O3/c1-23(2,3)18-8-10-20(11-9-18)28-17-19(26)16-24-12-14-25(15-13-24)21-6-4-5-7-22(21)27/h4-11,19,26-27H,12-17H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol has a molecular weight of 384.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol is sourced from PubChem (CID 29404375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).